4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene

C13H20O — CID 21447563

IUPAC4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene
SMILESCC1=C2CCC3(C)CC(C)C2(CC1)O3
InChIInChI=1S/C13H20O/c1-9-4-7-13-10(2)8-12(3,14-13)6-5-11(9)13/h10H,4-8H2,1-3H3
InChIKeyUOGDHATXXGMXHR-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.44
Rot. Bonds

About 4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene

4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene (PubChem CID 21447563) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene.

Molecular Properties

Compound Name4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene
PubChem CID21447563
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene
SMILESCC1=C2CCC3(C)CC(C)C2(CC1)O3
InChIInChI=1S/C13H20O/c1-9-4-7-13-10(2)8-12(3,14-13)6-5-11(9)13/h10H,4-8H2,1-3H3
InChIKeyUOGDHATXXGMXHR-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene?
The IUPAC name of 4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene (CID 21447563) is 4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene.
What is the SMILES notation for 4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene?
The canonical SMILES for 4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene is CC1=C2CCC3(C)CC(C)C2(CC1)O3.
What is the InChIKey of 4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene?
The InChIKey is UOGDHATXXGMXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9-4-7-13-10(2)8-12(3,14-13)6-5-11(9)13/h10H,4-8H2,1-3H3.
What are the key properties of 4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene?
4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene has a molecular weight of 192.30 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,10-trimethyl-11-oxatricyclo[6.2.1.01,5]undec-4-ene is sourced from PubChem (CID 21447563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).